(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol

C11H15Cl2NO — CID 131396220

IUPAC(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-11(2,6-15)10(14)7-3-8(12)5-9(13)4-7/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyLVKSMDYXFNBYGR-SNVBAGLBSA-N
MW248.15 g/mol
LogP3.01
Rot. Bonds3

About (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 131396220) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID131396220
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-11(2,6-15)10(14)7-3-8(12)5-9(13)4-7/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyLVKSMDYXFNBYGR-SNVBAGLBSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 130777230
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
CID 131427430
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
CID 131582381
(3S)-3-amino-3-(3-chloro-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131397934
(3S)-3-amino-3-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 171251102
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
CID 131387812
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171239556
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-chlorophenol
CID 131620451
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171242218
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248946

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol (CID 131396220) is (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(CO)[C@H](N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is LVKSMDYXFNBYGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-11(2,6-15)10(14)7-3-8(12)5-9(13)4-7/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 131396220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).